(2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid

C12H17N3O3 — CID 139450675

IUPAC(2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid
SMILESNC(=O)CN(CC(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H17N3O3/c13-10(6-9-4-2-1-3-5-9)7-15(12(17)18)8-11(14)16/h1-5,10H,6-8,13H2,(H2,14,16)(H,17,18)
InChIKeyNZYBFPHCVKBATD-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.02
Rot. Bonds6

About (2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid

(2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid (PubChem CID 139450675) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid
PubChem CID139450675
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid
SMILESNC(=O)CN(CC(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H17N3O3/c13-10(6-9-4-2-1-3-5-9)7-15(12(17)18)8-11(14)16/h1-5,10H,6-8,13H2,(H2,14,16)(H,17,18)
InChIKeyNZYBFPHCVKBATD-UHFFFAOYSA-N
XLogP0.02
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid
CID 118340477
[(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid
CID 150832768
(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid
CID 68714572
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
CID 120562616
(2-amino-3-phenylpropyl)urea
CID 137464572
S-[(2R)-2-amino-3-phenylpropyl] carbamothioate;hydrochloride
CID 137464272
3-amino-N,N-dimethyl-4-phenylbutanamide
CID 70115085
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
1-benzyl-1-chlorourea
CID 23442758

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid?
The IUPAC name of (2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid (CID 139450675) is (2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid.
What is the SMILES notation for (2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid?
The canonical SMILES for (2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid is NC(=O)CN(CC(N)Cc1ccccc1)C(=O)O.
What is the InChIKey of (2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid?
The InChIKey is NZYBFPHCVKBATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-10(6-9-4-2-1-3-5-9)7-15(12(17)18)8-11(14)16/h1-5,10H,6-8,13H2,(H2,14,16)(H,17,18).
What are the key properties of (2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid?
(2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid has a molecular weight of 251.29 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid is sourced from PubChem (CID 139450675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).